input word = C00041368

Metabolite InformationStructural formula
Name Austronine
Formula C30H37NO13
Mw 619.22649028
CAS RN 910451-92-2
C_ID C00041368 ,
InChIKey PTEWEUOVIMGMBH-UHFFFAOYNA-N
InChICode InChI=1S/C30H37NO13/c1-14-8-9-18-17(7-6-10-31-18)26(38)41-12-27(4)20-19(34)11-29(13-40-15(2)32)22(36)21(35)24(43-25(14)37)28(5,39)30(29,44-27)23(20)42-16(3)33/h6-7,10,14,20-24,35-36,39H,8-9,11-13H2,1-5H3/t14-,20+,21+,22+,23-,24-,27-,28-,29-,30-/m0/s1
SMILES CC(=O)OCC12CC(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(O)C2O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeAustroplenckia populnea var.ovata Ref.
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